methyl 4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C17H19N3O4S/c1-24-15(22)7-4-8-18-17(25)20-19-16(23)13-9-11-5-2-3-6-12(11)10-14(13)21/h2-3,5-6,9-10,21H,4,7-8H2,1H3,(H,19,23)(H2,18,20,25)